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- W3134575467 endingPage "5643" @default.
- W3134575467 startingPage "5629" @default.
- W3134575467 abstract "Affordable predictions for absolute OH stretching fundamental wavenumbers of alcohols with conformational accuracy are possible when the different deficiencies of quantum chemical methods are empirically corrected." @default.
- W3134575467 created "2021-03-15" @default.
- W3134575467 creator A5057119611 @default.
- W3134575467 creator A5074960419 @default.
- W3134575467 date "2021-01-01" @default.
- W3134575467 modified "2023-10-17" @default.
- W3134575467 title "Predicting OH stretching fundamental wavenumbers of alcohols for conformational assignment: different correction patterns for density functional and wave-function-based methods" @default.
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- W3134575467 doi "https://doi.org/10.1039/d1cp00342a" @default.
- W3134575467 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33656038" @default.
- W3134575467 hasPublicationYear "2021" @default.
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